#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3i s ASN 11 N 0.00 6.35 0.26 2.61 0.01 -1.26 -5.05 114.94 117.86 3m3i s ASN 11 Ca 0.00 2.19 0.06 0.00 -0.71 0.00 0.00 52.86 54.40 3m3i s ASN 11 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3m3i s ASN 11 CO 0.00 -0.78 -0.07 0.28 -1.51 0.00 0.00 177.10 175.02 3m3i s THR 12 N -1.62 1.59 0.28 1.60 -1.32 -1.26 -4.99 115.64 109.92 3m3i s THR 12 Ca 0.62 -2.13 0.02 0.00 -1.21 0.00 0.00 61.69 58.99 3m3i s THR 12 Cb -0.25 -2.35 0.27 0.00 -1.51 0.00 0.00 72.50 68.66 3m3i s THR 12 CO 0.31 -0.37 1.76 0.00 -2.21 0.00 0.00 174.62 174.12 3m3i h ALA 13 N 2.36 1.44 0.00 11.08 0.00 -1.84 -1.84 119.26 130.47 3m3i h ALA 13 Ca -0.39 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3m3i h ALA 13 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3m3i h ALA 13 CO 0.66 -0.08 -0.42 0.93 0.00 0.00 0.00 179.25 180.33 3m3i h GLU 14 N 0.67 0.00 0.19 0.00 5.08 -1.97 -1.97 114.58 116.58 3m3i h GLU 14 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3m3i h GLU 14 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3m3i h GLU 14 CO -0.38 0.42 -0.18 0.35 -1.00 0.00 0.00 179.01 178.22 3m3i h PHE 15 N 0.00 -0.48 0.05 4.33 3.04 -1.73 -2.25 116.94 119.90 3m3i h PHE 15 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 3m3i h PHE 15 Cb 0.83 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.53 3m3i h PHE 15 CO 0.00 -0.28 -0.02 -1.49 -2.02 0.00 0.00 178.31 174.50 3m3i h TRP 16 N -0.40 -0.06 -0.97 0.41 4.06 -1.47 -1.39 115.95 116.12 3m3i h TRP 16 Ca 0.00 -0.00 0.18 0.00 2.06 0.00 0.00 58.89 61.13 3m3i h TRP 16 Cb 0.38 0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 28.46 3m3i h TRP 16 CO -0.14 0.32 0.61 0.82 -3.56 0.00 0.00 178.44 176.49 3m3i h ILE 17 N -0.45 0.73 -0.07 1.49 2.04 -1.35 0.19 117.51 120.09 3m3i h ILE 17 Ca -0.01 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.51 3m3i h ILE 17 Cb 0.41 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3m3i h ILE 17 CO 0.01 0.13 -0.38 0.50 0.00 0.00 0.00 178.15 178.41 3m3i h LYS 18 N 0.69 0.37 0.09 2.37 3.64 -1.31 -1.70 116.57 120.73 3m3i h LYS 18 Ca 0.53 -0.31 -0.26 0.00 -1.27 0.00 0.00 60.65 59.34 3m3i h LYS 18 Cb 0.92 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3m3i h LYS 18 CO -0.30 0.96 -1.15 0.00 -2.27 0.00 0.00 179.45 176.69 3m3i h ARG 19 N -0.11 0.27 -0.04 1.90 3.08 0.24 -2.99 114.38 116.73 3m3i h ARG 19 Ca -0.03 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3m3i h ARG 19 Cb 1.04 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3m3i h ARG 19 CO 0.08 1.17 0.00 1.28 -1.07 0.00 0.00 179.97 181.43 3m3i n LEU 20 N -3.57 1.15 -3.69 3.04 4.77 0.45 -4.96 117.00 114.20 3m3i n LEU 20 Ca -0.07 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.28 3m3i n LEU 20 Cb 0.97 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 42.08 3m3i n LEU 20 CO 0.53 0.20 -0.02 0.00 -1.33 0.00 0.00 177.39 176.77 3m3i n GLN 21 N -0.08 -5.29 -3.12 3.23 6.02 -1.07 -4.93 117.38 112.13 3m3i n GLN 21 Ca 0.19 0.65 -0.33 0.00 -0.01 0.00 0.00 57.00 57.50 3m3i n GLN 21 Cb 0.29 -5.32 -0.06 0.00 1.02 0.00 0.00 30.24 26.16 3m3i n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m3i s LEU 22 N -6.72 4.11 0.28 1.08 1.43 -0.66 -4.86 118.68 113.33 3m3i s LEU 22 Ca 0.09 1.31 0.07 0.00 -1.03 0.00 0.00 54.13 54.58 3m3i s LEU 22 Cb -0.05 -4.01 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 3m3i s LEU 22 CO 0.80 -0.17 -0.06 0.68 0.23 0.00 0.00 176.35 177.83 3m3i s VAL 23 N -1.91 1.67 0.17 -1.59 -7.23 -0.28 -4.87 120.40 106.36 3m3i s VAL 23 Ca 0.53 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 3m3i s VAL 23 Cb -0.11 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 3m3i s VAL 23 CO 0.18 -0.29 1.48 -2.84 -0.31 0.00 0.00 175.10 173.33 3m3i s PRO 24 N -3.72 4.26 0.17 4.82 0.02 -1.26 -0.98 135.00 138.31 3m3i s PRO 24 Ca 0.30 2.26 -0.24 0.00 0.02 0.00 0.00 61.00 63.34 3m3i s PRO 24 Cb 0.04 -3.17 -0.08 0.00 0.02 0.00 0.00 34.50 31.30 3m3i s PRO 24 CO 0.12 -0.51 0.76 -1.58 -0.33 0.00 0.00 177.00 175.46 3m3i s HIS 25 N 0.89 3.86 0.32 6.54 2.46 -1.02 -4.84 115.29 123.49 3m3i s HIS 25 Ca 0.66 1.57 0.07 0.00 0.47 0.00 0.00 55.06 57.84 3m3i s HIS 25 Cb -0.41 -2.73 0.78 0.00 -0.13 0.00 0.00 32.58 30.09 3m3i s HIS 25 CO 0.33 0.49 1.79 -1.35 -2.47 0.00 0.00 174.74 173.52 3m3i h PRO 26 N 4.17 0.71 0.00 2.88 0.11 -1.94 -1.88 132.00 136.04 3m3i h PRO 26 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m3i h PRO 26 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3m3i h PRO 26 CO 0.66 0.47 0.00 1.05 -0.21 0.00 0.00 178.00 179.97 3m3i h GLU 27 N 0.73 0.00 0.00 1.05 4.11 -1.96 -3.49 114.58 115.02 3m3i h GLU 27 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 3m3i h GLU 27 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3m3i h GLU 27 CO -0.36 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.13 3m3i n GLY 28 N 0.98 3.62 5.30 1.06 0.00 -0.71 -2.49 105.19 112.95 3m3i n GLY 28 Ca 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3m3i n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3i n GLY 29 N -1.28 -1.81 3.07 -0.02 0.00 -1.15 -4.49 105.19 99.51 3m3i n GLY 29 Ca 0.00 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3m3i n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m3i s TYR 30 N 0.00 0.81 0.31 1.61 1.51 0.64 -2.43 117.35 119.80 3m3i s TYR 30 Ca 0.00 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 3m3i s TYR 30 Cb 0.00 -0.48 0.00 0.00 -0.11 0.00 0.00 41.96 41.37 3m3i s TYR 30 CO 0.00 -0.03 0.42 2.48 -1.11 0.00 0.00 175.55 177.31 3m3i n TYR 31 N 1.80 -1.29 -3.64 2.71 0.18 -0.15 0.25 117.16 117.01 3m3i n TYR 31 Ca -0.20 -2.13 -0.04 0.00 1.88 0.00 0.00 57.90 57.42 3m3i n TYR 31 Cb 0.55 0.47 -0.07 0.00 -0.38 0.00 0.00 39.34 39.92 3m3i n TYR 31 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3m3i s SER 32 N -2.94 -0.65 0.50 9.48 0.15 -0.86 -1.13 113.70 118.25 3m3i s SER 32 Ca 0.27 1.04 -0.23 0.00 0.70 0.00 0.00 55.95 57.73 3m3i s SER 32 Cb -0.01 1.28 -0.06 0.00 -1.71 0.00 0.00 66.02 65.52 3m3i s SER 32 CO 0.19 -0.16 1.31 -1.61 1.20 0.00 0.00 173.24 174.16 3m3i s GLU 33 N 1.46 3.41 0.00 5.44 2.02 -1.26 -1.70 118.70 128.08 3m3i s GLU 33 Ca -0.09 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.02 3m3i s GLU 33 Cb -0.04 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.82 3m3i s GLU 33 CO -0.17 -0.93 0.00 0.28 0.02 0.00 0.00 175.26 174.46 3m3i n VAL 34 N -0.73 0.00 -4.12 2.63 0.31 -0.51 -4.86 118.33 111.06 3m3i n VAL 34 Ca 0.09 0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.35 3m3i n VAL 34 Cb 0.45 -0.98 -0.11 0.00 -0.91 0.00 0.00 33.84 32.29 3m3i n VAL 34 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3m3i s VAL 35 N -0.84 0.64 -0.02 2.52 -7.23 -1.23 -5.01 120.40 109.23 3m3i s VAL 35 Ca 0.00 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 3m3i s VAL 35 Cb 0.00 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.80 3m3i s VAL 35 CO 0.00 -0.61 -0.06 -0.13 -0.31 0.00 0.00 175.10 173.99 3m3i s ARG 36 N -2.67 0.68 0.26 4.82 0.52 -1.26 -1.28 118.95 120.02 3m3i s ARG 36 Ca 0.01 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 3m3i s ARG 36 Cb -0.03 -0.67 -0.11 0.00 0.52 0.00 0.00 34.95 34.67 3m3i s ARG 36 CO -0.02 0.07 1.50 0.45 0.02 0.00 0.00 175.30 177.32 3m3i s SER 37 N 0.22 6.55 0.17 0.23 0.15 -0.83 -4.92 113.70 115.27 3m3i s SER 37 Ca -0.03 2.77 -0.14 0.00 0.70 0.00 0.00 55.95 59.25 3m3i s SER 37 Cb -0.07 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.68 3m3i s SER 37 CO -0.00 -0.78 1.83 0.00 1.20 0.00 0.00 173.24 175.49 3m3i h ALA 38 N 4.97 0.64 -2.59 5.45 0.00 -2.00 -3.42 119.26 122.32 3m3i h ALA 38 Ca -0.46 -0.03 -0.49 0.00 0.00 0.00 0.00 54.91 53.93 3m3i h ALA 38 Cb 1.22 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.83 3m3i h ALA 38 CO 0.78 0.06 0.41 -1.58 0.00 0.00 0.00 179.25 178.92 3m3i s HIS 39 N -6.15 3.46 0.13 0.00 5.65 -1.26 -4.97 115.29 112.16 3m3i s HIS 39 Ca -0.13 1.70 0.08 0.00 0.25 0.00 0.00 55.06 56.96 3m3i s HIS 39 Cb 0.12 -3.12 -0.04 0.00 -1.18 0.00 0.00 32.58 28.36 3m3i s HIS 39 CO 0.74 -0.39 -0.14 0.15 -0.65 0.00 0.00 174.74 174.45 3m3i s LYS 40 N -2.08 1.95 0.05 2.88 1.02 -1.26 -1.54 119.74 120.77 3m3i s LYS 40 Ca 0.52 -1.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 3m3i s LYS 40 Cb -0.24 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3m3i s LYS 40 CO 0.31 0.48 0.00 0.14 -0.92 0.00 0.00 175.35 175.35 3m3i s VAL 41 N -1.31 0.20 0.21 3.17 -7.23 0.52 -4.84 120.40 111.11 3m3i s VAL 41 Ca 0.21 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 3m3i s VAL 41 Cb -0.10 -1.34 -0.08 0.00 0.56 0.00 0.00 36.38 35.41 3m3i s VAL 41 CO 0.12 -0.89 0.96 -1.81 -0.31 0.00 0.00 175.10 173.18 3m3i s ASP 42 N -2.73 7.57 0.18 4.85 1.01 -1.26 -0.61 116.67 125.68 3m3i s ASP 42 Ca 0.04 1.94 0.00 0.00 0.71 0.00 0.00 52.55 55.24 3m3i s ASP 42 Cb 0.05 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3m3i s ASP 42 CO -0.09 0.07 0.00 -0.46 0.21 0.00 0.00 175.17 174.90 3m3i n ASN 43 N 1.82 0.00 0.15 0.27 6.94 -0.36 -4.91 115.26 119.16 3m3i n ASN 43 Ca -0.01 -0.92 0.12 0.00 -0.02 0.00 0.00 54.58 53.76 3m3i n ASN 43 Cb 0.47 0.00 0.53 0.00 -2.36 0.00 0.00 39.78 38.43 3m3i n ASN 43 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3m3i h GLU 44 N 0.00 0.00 -0.15 -3.83 3.07 -1.89 -2.30 114.58 109.47 3m3i h GLU 44 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3m3i h GLU 44 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3m3i h GLU 44 CO 0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 3m3i n GLU 45 N -2.30 1.66 -0.59 2.33 1.02 -1.26 -4.99 120.64 116.51 3m3i n GLU 45 Ca 0.01 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 3m3i n GLU 45 Cb 0.19 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3m3i n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3i n GLY 46 N 0.91 0.74 3.86 0.62 0.00 -0.87 -5.07 105.19 105.39 3m3i n GLY 46 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3m3i n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3m3i s ASN 47 N -2.39 6.70 -0.08 1.61 0.01 -1.26 -4.75 114.94 114.78 3m3i s ASN 47 Ca 0.00 1.13 -0.30 0.00 -0.71 0.00 0.00 52.86 52.98 3m3i s ASN 47 Cb 0.00 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 3m3i s ASN 47 CO 0.00 -0.17 1.04 -0.13 -1.51 0.00 0.00 177.10 176.34 3m3i s ARG 48 N -2.97 4.43 0.12 -0.60 1.81 -1.26 -1.22 118.95 119.25 3m3i s ARG 48 Ca 0.51 1.45 0.02 0.00 -1.72 0.00 0.00 55.73 56.00 3m3i s ARG 48 Cb -0.11 -3.53 -0.04 0.00 -0.45 0.00 0.00 34.95 30.82 3m3i s ARG 48 CO 0.20 -0.30 -0.06 1.03 -0.68 0.00 0.00 175.30 175.49 3m3i s ARG 49 N 1.88 0.92 0.63 3.54 1.81 0.22 -4.96 118.95 122.98 3m3i s ARG 49 Ca 0.50 -1.39 -0.19 0.00 -1.72 0.00 0.00 55.73 52.94 3m3i s ARG 49 Cb -0.20 -0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.00 3m3i s ARG 49 CO 0.20 -0.03 1.28 -1.01 -0.68 0.00 0.00 175.30 175.07 3m3i s HIS 50 N -3.59 2.17 0.27 -0.53 3.76 -1.26 -0.36 115.29 115.75 3m3i s HIS 50 Ca 0.15 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.54 3m3i s HIS 50 Cb 0.05 -3.66 0.60 0.00 1.11 0.00 0.00 32.58 30.68 3m3i s HIS 50 CO -0.02 -2.76 1.72 0.00 -0.85 0.00 0.00 174.74 172.82 3m3i h ALA 51 N 0.71 1.27 -2.50 -1.40 0.00 -1.53 0.58 119.26 116.38 3m3i h ALA 51 Ca -0.51 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3m3i h ALA 51 Cb 1.33 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.06 3m3i h ALA 51 CO 0.54 -0.25 0.10 1.52 0.00 0.00 0.00 179.25 181.15 3m3i s TYR 52 N -5.95 -0.49 0.10 0.00 -0.85 -1.26 -3.79 117.35 105.12 3m3i s TYR 52 Ca -0.12 0.57 0.07 0.00 -0.52 0.00 0.00 57.07 57.07 3m3i s TYR 52 Cb 0.23 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 3m3i s TYR 52 CO 0.77 -0.68 -0.19 0.95 -1.52 0.00 0.00 175.55 174.89 3m3i s THR 53 N -2.46 1.56 0.06 -3.49 -4.23 -0.42 -1.96 115.64 104.69 3m3i s THR 53 Ca -0.05 -1.55 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 3m3i s THR 53 Cb -0.01 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 3m3i s THR 53 CO -0.02 -0.16 -0.14 0.42 -0.54 0.00 0.00 174.62 174.19 3m3i s THR 54 N -1.37 1.09 0.07 3.99 -4.23 -0.40 -1.43 115.64 113.36 3m3i s THR 54 Ca 0.06 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 3m3i s THR 54 Cb -0.09 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 3m3i s THR 54 CO 0.04 -0.14 -0.05 0.27 -0.54 0.00 0.00 174.62 174.20 3m3i s ILE 55 N -1.11 0.43 0.10 2.99 -4.36 0.02 -1.42 121.20 117.86 3m3i s ILE 55 Ca -0.01 -1.82 -0.22 0.00 -0.26 0.00 0.00 60.65 58.34 3m3i s ILE 55 Cb -0.09 -1.53 -0.07 0.00 1.25 0.00 0.00 42.46 42.02 3m3i s ILE 55 CO 0.02 -0.91 0.66 -0.31 0.24 0.00 0.00 174.94 174.64 3m3i s TYR 56 N -3.64 3.84 -0.06 1.37 2.02 -0.69 -0.67 117.35 119.52 3m3i s TYR 56 Ca 0.08 1.42 0.01 0.00 -0.37 0.00 0.00 57.07 58.22 3m3i s TYR 56 Cb 0.06 -2.63 0.02 0.00 -0.40 0.00 0.00 41.96 39.01 3m3i s TYR 56 CO -0.07 0.53 -0.08 0.12 -1.57 0.00 0.00 175.55 174.48 3m3i s PHE 57 N -1.01 1.13 -0.13 2.71 5.36 -0.13 -2.03 117.98 123.89 3m3i s PHE 57 Ca 0.32 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 55.92 3m3i s PHE 57 Cb -0.21 -0.90 0.01 0.00 -0.34 0.00 0.00 43.02 41.58 3m3i s PHE 57 CO 0.22 -0.26 -0.21 -1.17 -1.46 0.00 0.00 175.22 172.33 3m3i s LEU 58 N 0.90 2.05 0.08 6.12 0.20 0.14 -1.48 118.68 126.69 3m3i s LEU 58 Ca -0.11 -0.57 0.06 0.00 0.69 0.00 0.00 54.13 54.20 3m3i s LEU 58 Cb -0.15 -1.39 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 3m3i s LEU 58 CO 0.01 0.09 -0.08 0.00 -0.29 0.00 0.00 176.35 176.08 3m3i s THR 60 N -1.18 0.45 0.33 0.00 -4.23 -1.23 -0.09 115.64 109.69 3m3i s THR 60 Ca 0.21 -1.92 0.28 0.00 -1.18 0.00 0.00 61.69 59.08 3m3i s THR 60 Cb -0.11 -1.86 0.29 0.00 1.34 0.00 0.00 72.50 72.16 3m3i s THR 60 CO 0.13 -0.69 2.01 -0.65 -0.54 0.00 0.00 174.62 174.88 3m3i h PRO 61 N 2.90 0.00 0.00 3.99 0.11 -1.79 -1.81 132.00 135.41 3m3i h PRO 61 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3m3i h PRO 61 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m3i h PRO 61 CO 0.63 0.13 -0.33 0.39 -0.21 0.00 0.00 178.00 178.61 3m3i n GLU 62 N -3.50 0.27 -3.35 1.05 1.02 -1.26 -4.50 120.64 110.36 3m3i n GLU 62 Ca -0.01 0.14 -0.26 0.00 -0.02 0.00 0.00 57.16 57.01 3m3i n GLU 62 Cb 0.29 -1.74 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 3m3i n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3m3i n SER 63 N -2.17 0.60 -4.89 1.62 2.88 -0.68 -5.05 113.62 105.93 3m3i n SER 63 Ca 0.04 -2.71 -0.29 0.00 -1.33 0.00 0.00 58.87 54.58 3m3i n SER 63 Cb 0.43 -0.62 0.04 0.00 -0.75 0.00 0.00 64.21 63.32 3m3i n SER 63 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3m3i s PRO 64 N -0.90 2.84 0.04 -1.46 0.04 -1.22 -2.93 135.00 131.41 3m3i s PRO 64 Ca 0.34 0.34 -0.19 0.00 0.04 0.00 0.00 61.00 61.53 3m3i s PRO 64 Cb 0.10 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 3m3i s PRO 64 CO -0.14 -0.98 0.56 0.45 0.04 0.00 0.00 177.00 176.93 3m3i s SER 65 N -4.36 7.01 0.80 6.66 0.15 -0.50 -3.90 113.70 119.56 3m3i s SER 65 Ca 0.57 1.20 -0.09 0.00 0.70 0.00 0.00 55.95 58.33 3m3i s SER 65 Cb -0.11 -2.35 0.12 0.00 -1.71 0.00 0.00 66.02 61.98 3m3i s SER 65 CO 0.50 0.23 1.13 -1.00 1.20 0.00 0.00 173.24 175.30 3m3i s HIS 66 N -0.84 2.19 0.13 3.44 3.76 -1.04 -3.23 115.29 119.71 3m3i s HIS 66 Ca 0.29 0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 55.17 3m3i s HIS 66 Cb -0.19 -3.49 -0.07 0.00 1.11 0.00 0.00 32.58 29.94 3m3i s HIS 66 CO 0.18 -1.92 1.18 -0.51 -0.85 0.00 0.00 174.74 172.81 3m3i s LEU 67 N -5.47 4.43 0.00 0.89 1.43 -0.28 -4.43 118.68 115.24 3m3i s LEU 67 Ca 0.66 2.12 -0.04 0.00 -1.03 0.00 0.00 54.13 55.83 3m3i s LEU 67 Cb -0.07 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.57 3m3i s LEU 67 CO 0.48 -0.38 0.41 0.00 0.23 0.00 0.00 176.35 177.09 3m3i n HIS 68 N 3.03 -1.43 -3.66 0.29 1.44 -0.22 -3.54 115.22 111.13 3m3i n HIS 68 Ca 0.06 -1.50 -0.07 0.00 -2.01 0.00 0.00 57.72 54.19 3m3i n HIS 68 Cb 0.46 0.47 -0.08 0.00 0.12 0.00 0.00 29.99 30.96 3m3i n HIS 68 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3m3i s ARG 69 N -2.38 0.46 0.67 -1.40 3.52 -0.60 -0.43 118.95 118.80 3m3i s ARG 69 Ca 0.17 1.09 -0.02 0.00 -0.13 0.00 0.00 55.73 56.84 3m3i s ARG 69 Cb -0.02 0.32 0.14 0.00 -1.56 0.00 0.00 34.95 33.83 3m3i s ARG 69 CO 0.12 -0.20 0.92 1.28 -0.81 0.00 0.00 175.30 176.61 3m3i n LEU 70 N 4.92 0.00 -0.23 -0.88 4.77 -1.26 -2.22 117.00 122.10 3m3i n LEU 70 Ca -0.15 -1.83 0.02 0.00 -0.03 0.00 0.00 56.01 54.02 3m3i n LEU 70 Cb 0.52 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3m3i n LEU 70 CO 0.01 -0.98 0.43 0.00 -1.33 0.00 0.00 177.39 175.53 3m3i s SER 72 N -0.68 3.24 0.37 0.00 0.01 -1.26 -4.67 113.70 110.72 3m3i s SER 72 Ca 0.08 -1.07 -0.27 0.00 1.31 0.00 0.00 55.95 55.99 3m3i s SER 72 Cb 0.05 -0.25 -0.09 0.00 0.21 0.00 0.00 66.02 65.94 3m3i s SER 72 CO 0.06 -0.10 1.25 -1.81 0.41 0.00 0.00 173.24 173.05 3m3i s ASP 73 N -3.47 6.58 -0.11 2.44 -0.00 -1.25 -3.56 116.67 117.31 3m3i s ASP 73 Ca 0.28 2.54 0.03 0.00 -0.00 0.00 0.00 52.55 55.41 3m3i s ASP 73 Cb -0.02 -2.63 -0.00 0.00 -0.00 0.00 0.00 42.92 40.27 3m3i s ASP 73 CO 0.13 -0.65 -0.22 -0.70 -0.00 0.00 0.00 175.17 173.73 3m3i s GLU 74 N -2.06 3.10 -0.13 8.23 2.12 -0.61 -2.11 118.70 127.23 3m3i s GLU 74 Ca 0.54 -0.85 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 3m3i s GLU 74 Cb -0.36 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 3m3i s GLU 74 CO 0.46 0.17 -0.02 0.99 -0.54 0.00 0.00 175.26 176.32 3m3i s THR 75 N 0.38 4.07 -0.14 -1.70 2.01 0.98 -0.31 115.64 120.94 3m3i s THR 75 Ca -0.17 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 3m3i s THR 75 Cb -0.17 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 3m3i s THR 75 CO 0.08 0.53 -0.04 0.26 -0.69 0.00 0.00 174.62 174.75 3m3i s TRP 76 N -0.06 3.02 -0.11 4.92 0.52 0.84 -1.36 118.94 126.72 3m3i s TRP 76 Ca 0.02 -0.21 0.02 0.00 0.02 0.00 0.00 56.10 55.96 3m3i s TRP 76 Cb -0.13 -1.90 0.01 0.00 -1.15 0.00 0.00 33.47 30.30 3m3i s TRP 76 CO 0.02 0.06 -0.18 -1.64 0.02 0.00 0.00 176.95 175.24 3m3i s MET 77 N 0.07 2.46 0.19 4.98 -1.94 -0.56 -2.02 119.30 122.49 3m3i s MET 77 Ca -0.00 -0.66 -0.30 0.00 -1.71 0.00 0.00 55.69 53.02 3m3i s MET 77 Cb -0.13 -2.00 -0.08 0.00 2.01 0.00 0.00 34.83 34.63 3m3i s MET 77 CO 0.03 0.01 1.02 -0.47 -0.01 0.00 0.00 175.02 175.61 3m3i s TYR 78 N 0.76 3.75 0.04 -0.03 6.14 -0.01 -1.73 117.35 126.27 3m3i s TYR 78 Ca -0.11 1.74 0.00 0.00 0.64 0.00 0.00 57.07 59.35 3m3i s TYR 78 Cb -0.16 -3.15 0.00 0.00 0.42 0.00 0.00 41.96 39.08 3m3i s TYR 78 CO 0.02 -0.12 0.00 0.72 0.64 0.00 0.00 175.55 176.80 3m3i n HIS 79 N 2.09 -0.00 -3.45 4.97 8.25 -0.48 -4.93 115.22 121.66 3m3i n HIS 79 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 3m3i n HIS 79 Cb 0.47 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 3m3i n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m3i s ALA 80 N -2.00 -1.66 0.00 -1.41 0.00 -0.88 -5.02 121.76 110.79 3m3i s ALA 80 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3m3i s ALA 80 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3m3i s ALA 80 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3m3i n GLY 81 N -0.34 -1.58 3.68 0.00 0.00 -1.26 -0.13 105.19 105.55 3m3i n GLY 81 Ca -0.15 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 3m3i n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m3i s ASP 82 N -4.00 3.10 0.39 1.61 1.01 0.23 -4.90 116.67 114.12 3m3i s ASP 82 Ca 0.00 1.76 -0.26 0.00 0.71 0.00 0.00 52.55 54.76 3m3i s ASP 82 Cb 0.00 -2.38 -0.09 0.00 1.01 0.00 0.00 42.92 41.47 3m3i s ASP 82 CO 0.00 -2.91 1.18 -2.16 0.21 0.00 0.00 175.17 171.49 3m3i s PRO 83 N -4.77 4.11 -0.05 8.23 0.04 -1.26 -4.49 135.00 136.81 3m3i s PRO 83 Ca 0.65 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 63.33 3m3i s PRO 83 Cb -0.20 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 3m3i s PRO 83 CO 0.58 -0.28 0.68 -1.17 0.04 0.00 0.00 177.00 176.85 3m3i s LEU 84 N -2.37 4.34 -0.30 -3.56 2.96 -0.41 -4.75 118.68 114.59 3m3i s LEU 84 Ca 0.56 1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 55.51 3m3i s LEU 84 Cb -0.32 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.30 3m3i s LEU 84 CO 0.40 -0.06 0.35 -1.58 -1.32 0.00 0.00 176.35 174.14 3m3i s GLN 85 N 0.55 3.80 -0.23 1.98 0.74 0.48 0.04 119.66 127.02 3m3i s GLN 85 Ca 0.36 -0.21 -0.09 0.00 0.05 0.00 0.00 55.36 55.47 3m3i s GLN 85 Cb -0.18 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 3m3i s GLN 85 CO 0.18 -0.38 0.11 -0.51 -0.55 0.00 0.00 175.29 174.14 3m3i s LEU 86 N 2.01 3.86 -0.35 3.68 1.43 0.99 -0.45 118.68 129.85 3m3i s LEU 86 Ca 0.13 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 3m3i s LEU 86 Cb -0.16 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3m3i s LEU 86 CO 0.11 0.07 0.17 -1.00 0.23 0.00 0.00 176.35 175.93 3m3i s HIS 87 N 1.01 3.23 -0.18 0.29 3.76 0.23 -1.47 115.29 122.16 3m3i s HIS 87 Ca 0.06 -0.98 -0.00 0.00 -0.15 0.00 0.00 55.06 53.99 3m3i s HIS 87 Cb -0.14 -2.39 0.01 0.00 1.11 0.00 0.00 32.58 31.17 3m3i s HIS 87 CO 0.04 -0.63 -0.15 0.08 -0.85 0.00 0.00 174.74 173.23 3m3i s VAL 88 N 1.54 2.52 -0.47 -0.90 1.01 0.50 -1.14 120.40 123.46 3m3i s VAL 88 Ca 0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3m3i s VAL 88 Cb -0.19 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.22 3m3i s VAL 88 CO 0.06 0.51 0.34 -0.63 0.00 0.00 0.00 175.10 175.37 3m3i s ILE 89 N 1.21 4.27 0.37 2.22 1.01 0.14 0.26 121.20 130.67 3m3i s ILE 89 Ca 0.02 -1.71 -0.27 0.00 0.00 0.00 0.00 60.65 58.69 3m3i s ILE 89 Cb -0.14 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 3m3i s ILE 89 CO -0.07 -0.74 1.23 -0.76 0.00 0.00 0.00 174.94 174.60 3m3i s LEU 90 N 1.38 4.30 -0.01 2.97 1.43 -0.88 -1.42 118.68 126.46 3m3i s LEU 90 Ca 0.05 2.50 -0.21 0.00 -1.03 0.00 0.00 54.13 55.45 3m3i s LEU 90 Cb -0.26 -3.85 -0.12 0.00 0.03 0.00 0.00 46.19 42.00 3m3i s LEU 90 CO -0.00 -0.62 0.86 0.50 0.23 0.00 0.00 176.35 177.31 3m3i h LYS 91 N 2.97 -0.70 -6.12 1.70 3.64 -1.90 -3.03 116.57 113.13 3m3i h LYS 91 Ca -0.49 0.05 -0.56 0.00 -1.27 0.00 0.00 60.65 58.38 3m3i h LYS 91 Cb 1.23 0.16 -0.17 0.00 -0.41 0.00 0.00 32.23 33.04 3m3i h LYS 91 CO 0.64 -0.46 -0.79 -0.51 -2.27 0.00 0.00 179.45 176.06 3m3i s ASP 92 N -4.72 2.98 -0.15 4.20 1.01 -1.26 -1.37 116.67 117.36 3m3i s ASP 92 Ca -0.11 -0.89 -0.18 0.00 0.71 0.00 0.00 52.55 52.08 3m3i s ASP 92 Cb 0.01 -0.20 -0.20 0.00 1.01 0.00 0.00 42.92 43.54 3m3i s ASP 92 CO 0.33 0.01 1.26 -2.65 0.21 0.00 0.00 175.17 174.33 3m3i n PRO 93 N 0.13 0.01 -0.62 8.23 -0.02 -1.26 -4.56 135.00 136.91 3m3i n PRO 93 Ca -0.12 -0.69 0.10 0.00 -2.02 0.00 0.00 63.50 60.77 3m3i n PRO 93 Cb 0.57 -2.08 0.36 0.00 -0.02 0.00 0.00 33.50 32.33 3m3i n PRO 93 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3m3i n GLN 94 N 6.26 3.74 0.22 -0.52 6.02 -1.26 -4.14 117.38 127.71 3m3i n GLN 94 Ca 0.27 -2.90 0.08 0.00 -0.01 0.00 0.00 57.00 54.43 3m3i n GLN 94 Cb 0.38 -1.90 0.51 0.00 1.02 0.00 0.00 30.24 30.26 3m3i n GLN 94 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3m3i h ASP 95 N 4.13 0.00 1.20 1.08 5.19 -1.97 -3.25 116.42 122.79 3m3i h ASP 95 Ca 0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 3m3i h ASP 95 Cb 1.46 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.94 3m3i h ASP 95 CO 0.23 0.25 -0.80 -0.33 -3.12 0.00 0.00 179.24 175.47 3m3i h GLU 96 N 0.00 0.00 0.00 3.56 4.39 -1.97 -3.11 114.58 117.45 3m3i h GLU 96 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3m3i h GLU 96 Cb 0.56 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3m3i h GLU 96 CO 0.03 0.80 -0.12 -0.44 -1.16 0.00 0.00 179.01 178.13 3m3i h ASP 97 N 0.00 0.00 0.00 1.42 3.32 -1.86 -3.56 116.42 115.74 3m3i h ASP 97 Ca -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3m3i h ASP 97 Cb 1.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.16 3m3i h ASP 97 CO 0.10 0.12 -1.29 -2.11 -1.72 0.00 0.00 179.24 174.34 3m3i n ARG 98 N -3.28 1.05 0.00 3.56 -4.01 -1.18 -5.20 116.66 107.60 3m3i n ARG 98 Ca 0.00 -0.04 0.00 0.00 -1.04 0.00 0.00 57.85 56.77 3m3i n ARG 98 Cb 0.35 -1.13 0.00 0.00 -3.04 0.00 0.00 32.46 28.64 3m3i n ARG 98 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 3m3i n ARG 117 N -1.84 0.00 -1.68 2.89 3.00 -1.26 -5.12 116.66 112.65 3m3i n ARG 117 Ca -0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.43 3m3i n ARG 117 Cb 0.30 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.80 3m3i n ARG 117 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3m3i n PRO 118 N 0.00 1.40 -4.26 -0.14 -0.02 -1.26 -5.01 135.00 125.71 3m3i n PRO 118 Ca 0.00 0.52 -0.25 0.00 -2.02 0.00 0.00 63.50 61.74 3m3i n PRO 118 Cb 0.00 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.06 3m3i n PRO 118 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3m3i s LYS 119 N -2.64 2.27 -1.37 -0.52 -0.14 -1.26 -4.67 119.74 111.40 3m3i s LYS 119 Ca 0.71 -1.25 -0.09 0.00 -1.36 0.00 0.00 55.97 53.97 3m3i s LYS 119 Cb -0.45 -2.24 0.02 0.00 -1.68 0.00 0.00 37.83 33.49 3m3i s LYS 119 CO 0.50 0.42 1.14 0.66 -0.76 0.00 0.00 175.35 177.31 3m3i n TYR 120 N -0.33 -2.74 -0.04 3.18 4.01 -0.47 -4.93 117.16 115.83 3m3i n TYR 120 Ca -0.09 0.99 -0.08 0.00 -0.16 0.00 0.00 57.90 58.57 3m3i n TYR 120 Cb 0.56 -4.88 -0.14 0.00 -0.31 0.00 0.00 39.34 34.58 3m3i n TYR 120 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3m3i n GLN 121 N -4.89 0.65 -3.73 -0.72 1.13 -1.26 -4.91 117.38 103.66 3m3i n GLN 121 Ca -0.01 0.18 -0.37 0.00 -1.94 0.00 0.00 57.00 54.86 3m3i n GLN 121 Cb 0.56 -1.70 -0.12 0.00 0.11 0.00 0.00 30.24 29.10 3m3i n GLN 121 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3m3i s VAL 122 N -2.61 4.71 -0.04 5.09 1.01 -1.26 -5.05 120.40 122.25 3m3i s VAL 122 Ca -0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 3m3i s VAL 122 Cb 0.07 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3m3i s VAL 122 CO 0.83 0.32 0.23 -0.47 0.00 0.00 0.00 175.10 176.01 3m3i s TYR 123 N 1.52 3.60 -0.03 5.22 5.04 -1.26 -2.06 117.35 129.38 3m3i s TYR 123 Ca 0.06 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.31 3m3i s TYR 123 Cb -0.15 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.17 3m3i s TYR 123 CO 0.06 0.67 -0.11 1.03 -1.34 0.00 0.00 175.55 175.85 3m3i s ARG 124 N -1.44 1.22 -0.25 4.97 1.81 0.14 -5.00 118.95 120.40 3m3i s ARG 124 Ca 0.23 -0.39 -0.06 0.00 -1.72 0.00 0.00 55.73 53.79 3m3i s ARG 124 Cb -0.13 -1.11 -0.01 0.00 -0.45 0.00 0.00 34.95 33.25 3m3i s ARG 124 CO 0.12 0.14 0.03 0.50 -0.68 0.00 0.00 175.30 175.41 3m3i s ARG 125 N 0.18 3.34 -0.14 3.54 3.52 -1.26 -0.37 118.95 127.77 3m3i s ARG 125 Ca -0.04 -0.67 -0.02 0.00 -0.13 0.00 0.00 55.73 54.87 3m3i s ARG 125 Cb -0.10 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3m3i s ARG 125 CO 0.01 -0.28 -0.07 0.08 -0.81 0.00 0.00 175.30 174.23 3m3i s VAL 126 N 1.52 3.60 -0.34 7.11 1.01 -0.54 -4.95 120.40 127.82 3m3i s VAL 126 Ca 0.05 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3m3i s VAL 126 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3m3i s VAL 126 CO 0.01 0.51 0.30 -0.76 0.00 0.00 0.00 175.10 175.16 3m3i s LEU 127 N 0.24 4.44 -0.55 3.92 1.43 -1.26 -0.00 118.68 126.89 3m3i s LEU 127 Ca -0.05 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.57 3m3i s LEU 127 Cb -0.14 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.89 3m3i s LEU 127 CO 0.04 -0.27 0.75 -0.69 0.23 0.00 0.00 176.35 176.40 3m3i s VAL 128 N 1.89 4.69 0.29 -1.59 1.01 0.11 -0.39 120.40 126.39 3m3i s VAL 128 Ca 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3m3i s VAL 128 Cb -0.17 -4.43 0.04 0.00 0.00 0.00 0.00 36.38 31.83 3m3i s VAL 128 CO 0.11 -1.00 0.58 0.61 0.00 0.00 0.00 175.10 175.40 3m3i n GLY 129 N 5.19 1.25 0.02 4.51 0.00 -0.77 -1.28 105.19 114.10 3m3i n GLY 129 Ca -0.05 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 44.89 3m3i n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i n ALA 130 N -1.22 3.61 -2.45 4.61 0.00 -1.26 -2.80 120.51 120.99 3m3i n ALA 130 Ca -0.12 -0.49 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 3m3i n ALA 130 Cb 0.43 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3m3i n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3m3i n ARG 131 N -1.92 3.20 0.28 0.00 1.74 -1.26 -4.79 116.66 113.90 3m3i n ARG 131 Ca 0.01 -3.27 0.14 0.00 -0.77 0.00 0.00 57.85 53.97 3m3i n ARG 131 Cb 0.44 -3.31 0.80 0.00 -1.02 0.00 0.00 32.46 29.37 3m3i n ARG 131 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3m3i h VAL 132 N 4.89 0.46 -0.27 1.55 -1.51 -1.84 -1.55 116.25 117.98 3m3i h VAL 132 Ca 0.45 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 3m3i h VAL 132 Cb 0.80 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 3m3i h VAL 132 CO 1.53 0.08 0.18 1.05 -1.23 0.00 0.00 177.57 179.18 3m3i h GLU 133 N 0.00 0.35 -0.32 5.19 9.09 -1.87 -3.01 114.58 124.01 3m3i h GLU 133 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 3m3i h GLU 133 Cb 0.27 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 3m3i h GLU 133 CO 0.01 0.23 0.00 0.54 0.05 0.00 0.00 179.01 179.84 3m3i n ARG 134 N -4.50 1.93 -0.27 1.06 1.74 -0.59 -4.90 116.66 111.12 3m3i n ARG 134 Ca 0.01 -1.42 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 3m3i n ARG 134 Cb 0.07 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3m3i n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m3i n GLY 135 N 1.18 0.65 3.78 -0.13 0.00 -1.14 -5.07 105.19 104.47 3m3i n GLY 135 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3m3i n GLY 135 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m3i s GLU 136 N -0.73 4.22 -0.14 1.61 2.02 -1.17 -4.70 118.70 119.82 3m3i s GLU 136 Ca 0.00 1.61 0.02 0.00 0.02 0.00 0.00 54.97 56.62 3m3i s GLU 136 Cb 0.00 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.57 3m3i s GLU 136 CO 0.00 -0.11 -0.20 -0.51 0.02 0.00 0.00 175.26 174.46 3m3i s LEU 137 N -2.42 2.26 0.39 1.80 1.43 0.47 -4.03 118.68 118.58 3m3i s LEU 137 Ca 0.55 -0.54 0.12 0.00 -1.03 0.00 0.00 54.13 53.23 3m3i s LEU 137 Cb -0.25 -1.49 0.80 0.00 0.03 0.00 0.00 46.19 45.28 3m3i s LEU 137 CO 0.31 0.09 1.89 -0.07 0.23 0.00 0.00 176.35 178.81 3m3i h LEU 138 N 7.23 0.07 -7.99 1.79 3.38 -1.83 -2.06 115.31 115.91 3m3i h LEU 138 Ca -0.31 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 3m3i h LEU 138 Cb 1.20 -0.02 -0.21 0.00 0.09 0.00 0.00 40.66 41.72 3m3i h LEU 138 CO 0.55 0.34 -0.70 -1.58 0.09 0.00 0.00 178.44 177.13 3m3i s GLN 139 N -4.45 0.32 -0.20 1.13 0.74 -1.26 -0.83 119.66 115.11 3m3i s GLN 139 Ca -0.04 -0.61 -0.28 0.00 0.05 0.00 0.00 55.36 54.48 3m3i s GLN 139 Cb 0.15 0.08 0.12 0.00 1.10 0.00 0.00 33.01 34.46 3m3i s GLN 139 CO 0.72 -0.04 0.98 -0.47 -0.55 0.00 0.00 175.29 175.93 3m3i s TYR 140 N -1.43 -0.44 -0.16 1.67 5.04 -0.86 -5.00 117.35 116.17 3m3i s TYR 140 Ca -0.15 0.91 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 3m3i s TYR 140 Cb -0.10 0.41 0.02 0.00 0.35 0.00 0.00 41.96 42.64 3m3i s TYR 140 CO -0.01 -0.32 -0.16 0.99 -1.34 0.00 0.00 175.55 174.72 3m3i s THR 141 N -0.54 1.73 -0.36 4.34 2.01 -1.26 -0.11 115.64 121.45 3m3i s THR 141 Ca -0.00 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 3m3i s THR 141 Cb -0.02 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.88 3m3i s THR 141 CO -0.01 0.46 0.91 -0.69 -0.69 0.00 0.00 174.62 174.60 3m3i s VAL 142 N 1.42 4.61 0.54 3.82 1.01 0.58 -4.93 120.40 127.45 3m3i s VAL 142 Ca 0.04 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 63.00 3m3i s VAL 142 Cb -0.13 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 3m3i s VAL 142 CO -0.11 -0.50 1.23 -2.84 0.00 0.00 0.00 175.10 172.87 3m3i s PRO 143 N 3.40 3.28 0.17 2.72 0.02 -1.26 -1.58 135.00 141.76 3m3i s PRO 143 Ca 0.37 1.90 -0.33 0.00 0.02 0.00 0.00 61.00 62.96 3m3i s PRO 143 Cb -0.12 -2.16 -0.14 0.00 0.02 0.00 0.00 34.50 32.10 3m3i s PRO 143 CO 0.18 -0.98 1.60 0.41 -0.33 0.00 0.00 177.00 177.88 3m3i n GLY 144 N 0.52 1.19 0.00 0.52 0.00 -1.23 -2.35 105.19 103.84 3m3i n GLY 144 Ca 0.11 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3m3i n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3i n GLY 145 N 3.47 0.50 3.78 -0.02 0.00 -1.11 -4.86 105.19 106.94 3m3i n GLY 145 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3m3i n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i s ALA 146 N -2.00 3.18 -0.15 4.61 0.00 -0.99 -4.21 121.76 122.19 3m3i s ALA 146 Ca 0.00 0.68 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 3m3i s ALA 146 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3m3i s ALA 146 CO 0.00 -0.09 0.67 0.42 0.00 0.00 0.00 175.76 176.76 3m3i s ILE 147 N -1.56 5.02 0.16 0.00 1.01 -0.50 -4.20 121.20 121.11 3m3i s ILE 147 Ca 0.53 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 62.38 3m3i s ILE 147 Cb -0.23 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.26 3m3i s ILE 147 CO 0.29 0.15 0.33 0.72 0.00 0.00 0.00 174.94 176.43 3m3i s PHE 148 N 1.55 0.20 0.32 3.97 -0.71 0.43 0.27 117.98 124.00 3m3i s PHE 148 Ca 0.32 -0.57 -0.19 0.00 -1.04 0.00 0.00 56.93 55.46 3m3i s PHE 148 Cb -0.16 0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.75 3m3i s PHE 148 CO 0.13 -0.73 0.76 0.20 -1.34 0.00 0.00 175.22 174.23 3m3i s GLY 149 N -2.92 0.09 0.07 1.99 0.00 -0.29 -1.05 107.32 105.21 3m3i s GLY 149 Ca 0.12 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.38 3m3i s GLY 149 CO -0.03 -0.14 -0.05 -1.35 0.00 0.00 0.00 173.10 171.53 3m3i s SER 150 N -2.99 0.83 0.27 1.64 1.04 -1.20 0.77 113.70 114.07 3m3i s SER 150 Ca 0.13 -0.95 -0.20 0.00 0.48 0.00 0.00 55.95 55.41 3m3i s SER 150 Cb -0.05 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.25 3m3i s SER 150 CO 0.09 -0.49 0.86 -0.94 0.98 0.00 0.00 173.24 173.74 3m3i s SER 151 N -2.82 -0.10 -0.01 7.02 1.04 0.40 -1.41 113.70 117.82 3m3i s SER 151 Ca 0.07 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.76 3m3i s SER 151 Cb 0.04 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.83 3m3i s SER 151 CO -0.06 -1.29 -0.05 -0.69 0.98 0.00 0.00 173.24 172.12 3m3i s VAL 152 N -2.88 0.45 0.73 5.02 1.01 -1.26 -0.39 120.40 123.08 3m3i s VAL 152 Ca 0.15 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 3m3i s VAL 152 Cb -0.04 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.98 3m3i s VAL 152 CO 0.07 0.14 1.15 0.00 0.00 0.00 0.00 175.10 176.46 3m3i s ALA 153 N 0.04 2.17 -0.86 5.51 0.00 -1.26 -4.21 121.76 123.15 3m3i s ALA 153 Ca -0.00 0.67 0.22 0.00 0.00 0.00 0.00 51.96 52.84 3m3i s ALA 153 Cb -0.04 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 3m3i s ALA 153 CO -0.00 -1.77 0.94 0.00 0.00 0.00 0.00 175.76 174.92 3m3i n ALA 154 N -2.89 4.26 -3.68 0.00 0.00 -1.26 -4.50 120.51 112.44 3m3i n ALA 154 Ca 0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 53.44 52.98 3m3i n ALA 154 Cb 0.51 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 19.13 3m3i n ALA 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m3i n ASP 155 N -1.63 -1.53 0.00 0.00 10.43 -1.24 -4.89 116.55 117.69 3m3i n ASP 155 Ca 0.03 -2.32 0.00 0.00 2.57 0.00 0.00 54.79 55.07 3m3i n ASP 155 Cb 0.37 2.62 0.00 0.00 1.84 0.00 0.00 41.12 45.95 3m3i n ASP 155 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3m3i n GLY 156 N -0.43 -0.04 0.28 0.44 0.00 -1.26 -2.89 105.19 101.30 3m3i n GLY 156 Ca -0.04 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 3m3i n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3i h ALA 157 N -0.54 0.81 -0.16 4.61 0.00 -2.01 -2.96 119.26 119.00 3m3i h ALA 157 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3m3i h ALA 157 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3m3i h ALA 157 CO 0.00 0.66 0.00 -0.25 0.00 0.00 0.00 179.25 179.66 3m3i n ASP 158 N -4.13 1.60 -3.40 0.00 8.00 -1.26 -4.60 116.55 112.76 3m3i n ASP 158 Ca 0.01 -1.70 -0.27 0.00 0.71 0.00 0.00 54.79 53.54 3m3i n ASP 158 Cb 0.42 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 3m3i n ASP 158 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3m3i s GLY 159 N -1.56 1.20 0.00 0.44 0.00 -1.12 -4.25 107.32 102.03 3m3i s GLY 159 Ca 0.32 -2.45 0.00 0.00 0.00 0.00 0.00 44.72 42.59 3m3i s GLY 159 CO 0.26 2.12 0.00 -1.06 0.00 0.00 0.00 173.10 174.42 3m3i n GLN 160 N 2.86 2.74 0.00 2.90 1.13 -1.26 -3.73 117.38 122.03 3m3i n GLN 160 Ca 0.29 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.46 3m3i n GLN 160 Cb 0.48 -0.99 0.02 0.00 0.11 0.00 0.00 30.24 29.85 3m3i n GLN 160 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3m3i n ALA 161 N -2.13 4.15 -1.02 -1.58 0.00 -1.26 -4.99 120.51 113.68 3m3i n ALA 161 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 3m3i n ALA 161 Cb 0.49 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 3m3i n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m3i n GLY 162 N 1.47 0.47 3.70 0.00 0.00 -1.26 -4.43 105.19 105.13 3m3i n GLY 162 Ca 0.06 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 3m3i n GLY 162 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3m3i s TYR 163 N -2.01 -0.12 -0.03 1.61 -0.85 -1.26 -4.49 117.35 110.21 3m3i s TYR 163 Ca 0.00 -0.12 -0.00 0.00 -0.52 0.00 0.00 57.07 56.43 3m3i s TYR 163 Cb 0.00 0.60 0.03 0.00 0.38 0.00 0.00 41.96 42.97 3m3i s TYR 163 CO 0.00 -0.64 0.01 0.45 -1.52 0.00 0.00 175.55 173.85 3m3i s SER 164 N -2.91 0.54 -0.12 -0.18 0.15 0.87 -0.60 113.70 111.45 3m3i s SER 164 Ca 0.12 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.78 3m3i s SER 164 Cb 0.00 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 3m3i s SER 164 CO -0.00 -0.13 -0.17 -0.22 1.20 0.00 0.00 173.24 173.92 3m3i s LEU 165 N 1.23 2.46 0.22 3.45 2.96 0.81 -1.11 118.68 128.71 3m3i s LEU 165 Ca -0.07 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 3m3i s LEU 165 Cb -0.13 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3m3i s LEU 165 CO -0.02 0.15 0.27 0.68 -1.32 0.00 0.00 176.35 176.10 3m3i s VAL 166 N 0.42 0.00 -0.04 1.68 -7.23 -0.55 -1.39 120.40 113.30 3m3i s VAL 166 Ca -0.13 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.28 3m3i s VAL 166 Cb -0.17 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 3m3i s VAL 166 CO 0.06 0.00 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.34 3m3i s SER 167 N -3.12 4.66 0.02 4.85 0.01 -0.70 -0.95 113.70 118.46 3m3i s SER 167 Ca 0.33 -0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.59 3m3i s SER 167 Cb 0.04 -1.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 3m3i s SER 167 CO 0.12 0.33 -0.20 0.00 0.41 0.00 0.00 173.24 173.90 3m3i s ILE 169 N -0.84 0.85 -0.21 0.00 1.01 -0.47 -0.79 121.20 120.74 3m3i s ILE 169 Ca 0.13 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 3m3i s ILE 169 Cb -0.10 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3m3i s ILE 169 CO 0.03 0.33 0.09 -0.69 0.00 0.00 0.00 174.94 174.71 3m3i s VAL 170 N 1.64 4.82 -0.16 2.92 1.01 -0.51 -0.01 120.40 130.10 3m3i s VAL 170 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3m3i s VAL 170 Cb -0.13 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.12 3m3i s VAL 170 CO -0.06 0.40 0.33 -0.55 0.00 0.00 0.00 175.10 175.21 3m3i s SER 171 N 0.88 0.16 0.99 3.32 0.15 -0.90 -1.30 113.70 117.00 3m3i s SER 171 Ca 0.05 0.69 -0.13 0.00 0.70 0.00 0.00 55.95 57.26 3m3i s SER 171 Cb -0.13 0.96 0.09 0.00 -1.71 0.00 0.00 66.02 65.23 3m3i s SER 171 CO 0.03 -0.24 0.58 -2.65 1.20 0.00 0.00 173.24 172.15 3m3i n PRO 172 N 5.37 -0.71 -1.37 5.44 -0.02 -1.26 -3.77 135.00 138.68 3m3i n PRO 172 Ca -0.07 -0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 60.90 3m3i n PRO 172 Cb 0.50 -1.98 0.10 0.00 -0.02 0.00 0.00 33.50 32.09 3m3i n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m3i n GLY 173 N 1.24 0.19 3.75 -1.23 0.00 0.20 -4.79 105.19 104.55 3m3i n GLY 173 Ca 0.07 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3m3i n GLY 173 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m3i s PHE 174 N -1.80 3.30 -0.07 1.61 5.36 -1.26 -4.78 117.98 120.34 3m3i s PHE 174 Ca 0.77 1.44 -0.03 0.00 -0.96 0.00 0.00 56.93 58.15 3m3i s PHE 174 Cb -0.33 -3.52 0.04 0.00 -0.34 0.00 0.00 43.02 38.87 3m3i s PHE 174 CO 0.46 -1.42 0.16 0.34 -1.46 0.00 0.00 175.22 173.31 3m3i s ASP 175 N -0.26 -0.01 0.49 6.13 2.15 -1.26 -4.92 116.67 118.99 3m3i s ASP 175 Ca 0.51 0.34 0.22 0.00 0.43 0.00 0.00 52.55 54.04 3m3i s ASP 175 Cb -0.36 0.23 1.26 0.00 -0.30 0.00 0.00 42.92 43.76 3m3i s ASP 175 CO 0.43 -0.17 1.96 1.88 -0.17 0.00 0.00 175.17 179.11 3m3i h TYR 176 N 7.41 0.19 0.00 -5.34 0.05 -1.96 0.15 116.97 117.47 3m3i h TYR 176 Ca -0.38 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.40 3m3i h TYR 176 Cb 1.14 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 3m3i h TYR 176 CO 0.42 0.08 -0.01 0.00 -1.05 0.00 0.00 178.16 177.60 3m3i h ARG 177 N 0.17 0.00 0.00 4.88 3.08 -2.02 -0.53 114.38 119.96 3m3i h ARG 177 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3m3i h ARG 177 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3m3i h ARG 177 CO -0.05 0.01 -0.93 -0.25 -1.07 0.00 0.00 179.97 177.67 3m3i n ASP 178 N -3.17 0.68 -4.57 7.04 8.00 0.53 -4.84 116.55 120.20 3m3i n ASP 178 Ca -0.02 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 3m3i n ASP 178 Cb 0.11 0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 41.96 3m3i n ASP 178 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3m3i s PHE 179 N -3.11 2.55 -0.18 1.24 5.36 -0.21 -4.22 117.98 119.42 3m3i s PHE 179 Ca 0.06 0.33 -0.09 0.00 -0.96 0.00 0.00 56.93 56.28 3m3i s PHE 179 Cb 0.16 -4.54 -0.05 0.00 -0.34 0.00 0.00 43.02 38.25 3m3i s PHE 179 CO 0.80 -1.67 0.12 -2.00 -1.46 0.00 0.00 175.22 171.01 3m3i s GLU 180 N 5.09 3.97 0.21 10.12 2.12 -0.94 -4.97 118.70 134.29 3m3i s GLU 180 Ca 0.42 -0.23 0.10 0.00 0.36 0.00 0.00 54.97 55.62 3m3i s GLU 180 Cb -0.08 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3m3i s GLU 180 CO 0.24 0.40 -0.14 -1.50 -0.54 0.00 0.00 175.26 173.72 3m3i s ILE 181 N 0.04 2.91 0.10 -3.70 1.10 -1.26 -1.55 121.20 118.84 3m3i s ILE 181 Ca 0.09 -1.88 0.05 0.00 -0.51 0.00 0.00 60.65 58.40 3m3i s ILE 181 Cb -0.11 -2.46 -0.03 0.00 0.15 0.00 0.00 42.46 40.01 3m3i s ILE 181 CO -0.00 -0.18 -0.13 -0.36 -2.11 0.00 0.00 174.94 172.16 3m3i s PHE 182 N -1.87 1.27 0.36 3.50 0.40 -1.23 -5.04 117.98 115.38 3m3i s PHE 182 Ca 0.25 -0.54 0.05 0.00 -0.60 0.00 0.00 56.93 56.09 3m3i s PHE 182 Cb -0.08 -0.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 3m3i s PHE 182 CO 0.14 0.09 0.52 0.95 0.70 0.00 0.00 175.22 177.62 3m3i s THR 183 N -1.90 4.09 0.09 0.64 -4.23 -1.26 -3.57 115.64 109.49 3m3i s THR 183 Ca 0.05 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.42 3m3i s THR 183 Cb -0.06 -3.44 -0.15 0.00 1.34 0.00 0.00 72.50 70.19 3m3i s THR 183 CO 0.02 -0.21 1.68 1.56 -0.54 0.00 0.00 174.62 177.14 3m3i h GLN 184 N 0.77 -0.38 -0.67 3.99 4.20 -1.22 -2.68 115.11 119.12 3m3i h GLN 184 Ca -0.46 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.37 3m3i h GLN 184 Cb 1.25 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 29.05 3m3i h GLN 184 CO 0.54 -0.25 0.31 0.00 -0.67 0.00 0.00 178.83 178.75 3m3i h ALA 185 N 0.34 0.90 -0.17 3.87 0.00 -1.93 0.89 119.26 123.15 3m3i h ALA 185 Ca -0.02 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3m3i h ALA 185 Cb 0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3m3i h ALA 185 CO 0.02 -0.10 -0.10 0.37 0.00 0.00 0.00 179.25 179.44 3m3i h GLN 186 N 0.53 -0.08 0.00 0.00 4.15 -1.91 -2.14 115.11 115.66 3m3i h GLN 186 Ca 0.33 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.67 3m3i h GLN 186 Cb 0.36 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3m3i h GLN 186 CO -0.28 -0.05 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.10 3m3i h LEU 187 N -0.09 0.00 -0.84 -2.39 3.38 -1.10 -3.25 115.31 111.03 3m3i h LEU 187 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3m3i h LEU 187 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3m3i h LEU 187 CO -0.23 0.40 0.05 0.24 0.09 0.00 0.00 178.44 178.99 3m3i h MET 188 N 0.00 0.92 -0.23 1.13 2.86 -0.20 0.13 114.93 119.53 3m3i h MET 188 Ca -0.00 -0.24 -0.13 0.00 -2.06 0.00 0.00 59.70 57.26 3m3i h MET 188 Cb 1.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 3m3i h MET 188 CO 0.05 0.88 -0.40 0.93 1.06 0.00 0.00 176.91 179.43 3m3i h GLU 189 N 0.86 0.54 0.04 1.72 4.39 -1.47 -3.03 114.58 117.62 3m3i h GLU 189 Ca 0.17 -0.27 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 3m3i h GLU 189 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3m3i h GLU 189 CO 0.02 0.85 -0.78 -0.07 -1.16 0.00 0.00 179.01 177.86 3m3i h LEU 190 N 0.44 0.14 -5.78 1.33 3.38 -1.59 -3.43 115.31 109.79 3m3i h LEU 190 Ca 0.04 -0.82 -0.55 0.00 0.09 0.00 0.00 57.88 56.64 3m3i h LEU 190 Cb 0.90 -0.05 -0.41 0.00 0.09 0.00 0.00 40.66 41.19 3m3i h LEU 190 CO 0.08 1.33 -0.90 -1.22 0.09 0.00 0.00 178.44 177.81 3m3i n TYR 191 N -4.34 1.95 0.25 1.13 4.01 0.44 -4.93 117.16 115.67 3m3i n TYR 191 Ca -0.20 -3.89 0.13 0.00 -0.16 0.00 0.00 57.90 53.78 3m3i n TYR 191 Cb 0.68 -0.45 0.62 0.00 -0.31 0.00 0.00 39.34 39.87 3m3i n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3m3i h PRO 192 N 3.32 0.00 -0.46 -0.72 0.13 -1.67 -2.83 132.00 129.77 3m3i h PRO 192 Ca 0.12 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.38 3m3i h PRO 192 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 3m3i h PRO 192 CO 0.65 0.13 0.34 -0.56 -0.23 0.00 0.00 178.00 178.33 3m3i h GLN 193 N 0.00 0.00 -1.08 0.86 -0.00 -1.91 -0.62 115.11 112.36 3m3i h GLN 193 Ca -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.65 58.22 3m3i h GLN 193 Cb 0.55 0.00 -0.23 0.00 -0.00 0.00 0.00 27.48 27.80 3m3i h GLN 193 CO 0.02 0.00 0.54 0.72 -0.00 0.00 0.00 178.83 180.11 3m3i n HIS 194 N -4.32 2.34 -0.33 0.06 8.25 -1.07 -4.72 115.22 115.42 3m3i n HIS 194 Ca 0.08 -1.82 0.14 0.00 -0.26 0.00 0.00 57.72 55.86 3m3i n HIS 194 Cb 0.55 -0.91 0.32 0.00 1.12 0.00 0.00 29.99 31.07 3m3i n HIS 194 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3m3i h GLU 195 N 1.05 0.60 -0.12 -0.41 4.81 -1.29 -2.39 114.58 116.84 3m3i h GLU 195 Ca 0.47 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 3m3i h GLU 195 Cb 1.94 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.18 3m3i h GLU 195 CO 0.94 0.40 -0.02 0.00 -0.73 0.00 0.00 179.01 179.60 3m3i h ALA 196 N 1.67 0.16 -0.08 2.92 0.00 -1.86 -1.19 119.26 120.89 3m3i h ALA 196 Ca 0.58 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 3m3i h ALA 196 Cb 1.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3m3i h ALA 196 CO -0.44 -0.11 -0.59 -0.24 0.00 0.00 0.00 179.25 177.88 3m3i h VAL 197 N -0.08 1.38 -0.11 0.00 3.04 -1.92 -2.41 116.25 116.14 3m3i h VAL 197 Ca 0.03 -1.94 0.03 0.00 -1.01 0.00 0.00 66.70 63.82 3m3i h VAL 197 Cb 0.42 1.97 -0.03 0.00 -2.01 0.00 0.00 31.29 31.64 3m3i h VAL 197 CO 0.01 0.57 -0.09 0.40 -1.01 0.00 0.00 177.57 177.46 3m3i h ILE 198 N 0.19 0.74 0.00 3.17 2.04 -1.30 0.33 117.51 122.68 3m3i h ILE 198 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3m3i h ILE 198 Cb 1.08 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3m3i h ILE 198 CO 0.09 0.00 -0.09 0.11 0.00 0.00 0.00 178.15 178.26 3m3i h LYS 199 N -0.10 0.00 0.04 2.37 1.57 -1.18 -1.93 116.57 117.34 3m3i h LYS 199 Ca 0.07 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 3m3i h LYS 199 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3m3i h LYS 199 CO -0.17 0.09 -0.91 0.37 -0.57 0.00 0.00 179.45 178.26 3m3i h GLN 200 N 0.00 0.09 -0.01 3.15 4.15 -1.02 -3.42 115.11 118.05 3m3i h GLN 200 Ca -0.00 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.27 3m3i h GLN 200 Cb 0.62 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3m3i h GLN 200 CO 0.01 1.07 -0.25 -1.33 -1.93 0.00 0.00 178.83 176.41 3m3i n MET 201 N -4.31 1.91 -4.04 1.69 2.81 0.11 -4.99 117.12 110.30 3m3i n MET 201 Ca -0.22 -0.69 -0.29 0.00 -1.81 0.00 0.00 57.70 54.69 3m3i n MET 201 Cb 0.70 -1.15 -0.06 0.00 -0.71 0.00 0.00 33.22 32.00 3m3i n MET 201 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3m3i s ALA 202 N -1.54 3.64 0.38 3.04 0.00 -0.73 -1.13 121.76 125.43 3m3i s ALA 202 Ca 0.10 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 50.73 3m3i s ALA 202 Cb 0.10 -1.47 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 3m3i s ALA 202 CO 0.30 0.67 1.36 0.71 0.00 0.00 0.00 175.76 178.80 3m3i s TYR 203 N -1.54 2.78 -2.15 0.00 2.02 -1.23 -4.63 117.35 112.60 3m3i s TYR 203 Ca 0.31 1.34 0.31 0.00 -0.37 0.00 0.00 57.07 58.65 3m3i s TYR 203 Cb -0.12 -3.78 1.64 0.00 -0.40 0.00 0.00 41.96 39.31 3m3i s TYR 203 CO 0.23 -2.33 2.08 -0.85 -1.57 0.00 0.00 175.55 173.11